Dynamical matrix file 1 1 2 7.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Al ' 24590.765652728711 1 1 0.0000000000 0.0000000000 0.0000000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 -0.500000000 0.500000000 ) 1 1 0.09708770 0.00000000 -0.05231919 0.00000000 0.05231919 0.00000000 -0.05231919 0.00000000 0.09708770 0.00000000 -0.05231919 0.00000000 0.05231919 0.00000000 -0.05231919 0.00000000 0.09708770 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 0.500000000 0.500000000 ) 1 1 0.09708770 0.00000000 0.05231919 0.00000000 0.05231919 0.00000000 0.05231919 0.00000000 0.09708770 0.00000000 0.05231919 0.00000000 0.05231919 0.00000000 0.05231919 0.00000000 0.09708770 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.500000000 0.500000000 0.500000000 ) 1 1 0.09708770 0.00000000 -0.05231919 0.00000000 -0.05231919 0.00000000 -0.05231919 0.00000000 0.09708770 0.00000000 0.05231919 0.00000000 -0.05231919 0.00000000 0.05231919 0.00000000 0.09708770 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 0.500000000 -0.500000000 ) 1 1 0.09708770 0.00000000 0.05231919 0.00000000 -0.05231919 0.00000000 0.05231919 0.00000000 0.09708770 0.00000000 -0.05231919 0.00000000 -0.05231919 0.00000000 -0.05231919 0.00000000 0.09708770 0.00000000 Diagonalizing the dynamical matrix q = ( 0.500000000 -0.500000000 0.500000000 ) ************************************************************************** freq ( 1) = 4.438899 [THz] = 148.065741 [cm-1] ( -0.500350 0.000000 -0.808957 0.000000 -0.308607 0.000000 ) freq ( 2) = 4.438899 [THz] = 148.065741 [cm-1] ( -0.645226 0.000000 0.110703 0.000000 0.755929 0.000000 ) freq ( 3) = 9.422584 [THz] = 314.303586 [cm-1] ( 0.577350 0.000000 -0.577350 0.000000 0.577350 0.000000 ) **************************************************************************